2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine

C26H29N7O2 — CID 11454233

About 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine

2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine (PubChem CID 11454233) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine.

Molecular Properties

• Compound Name: 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
• PubChem CID: 11454233
• Molecular Formula: C26H29N7O2
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.24
• IUPAC Name: 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
• SMILES: Cc1[nH]c2ccc(N/N=C/c3cc(N4CCOCC4)nc(OCCc4ccccn4)n3)cc2c1C
• InChI: InChI=1S/C26H29N7O2/c1-18-19(2)29-24-7-6-21(15-23(18)24)32-28-17-22-16-25(33-10-13-34-14-11-33)31-26(30-22)35-12-8-20-5-3-4-9-27-20/h3-7,9,15-17,29,32H,8,10-14H2,1-2H3/b28-17+
• InChIKey: PVCPIUBLHQPXJA-OGLMXYFKSA-N
• XLogP: 3.87
• TPSA: 100.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine?

The IUPAC name of 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine (CID 11454233) is 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine.

What is the SMILES notation for 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine?

The canonical SMILES for 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine is Cc1[nH]c2ccc(N/N=C/c3cc(N4CCOCC4)nc(OCCc4ccccn4)n3)cc2c1C.

What is the InChIKey of 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine?

The InChIKey is PVCPIUBLHQPXJA-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-18-19(2)29-24-7-6-21(15-23(18)24)32-28-17-22-16-25(33-10-13-34-14-11-33)31-26(30-22)35-12-8-20-5-3-4-9-27-20/h3-7,9,15-17,29,32H,8,10-14H2,1-2H3/b28-17+.

What are the key properties of 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine?

2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine has a molecular weight of 471.57 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine is sourced from PubChem (CID 11454233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).